Multicomponent density-functional theory for electrons and nuclei

T. Kreibich; E. K.U. Gross

doi:10.1103/PhysRevLett.86.2984

Multicomponent density-functional theory for electrons and nuclei

T. Kreibich^*, E. K.U. Gross

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

208 Scopus citations

Abstract

A combined system of electrons and nuclei is investigated using a multicomponent density-functional theory. The functionals for the electron-nuclear correlation energy are approximated. The theory of explicit calculations for the H₂ molecular ion is illustrated.

Original language	English
Pages (from-to)	2984-2987
Number of pages	4
Journal	Physical Review Letters
Volume	86
Issue number	14
DOIs	https://doi.org/10.1103/PhysRevLett.86.2984
State	Published - 2 Apr 2001
Externally published	Yes

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10.1103/PhysRevLett.86.2984

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abstract = "A combined system of electrons and nuclei is investigated using a multicomponent density-functional theory. The functionals for the electron-nuclear correlation energy are approximated. The theory of explicit calculations for the H2 molecular ion is illustrated.",

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Multicomponent density-functional theory for electrons and nuclei

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